[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate

C16H18N2O6S — CID 21409256

IUPAC[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(OC)c(NS(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O6S/c1-17-16(19)24-11-9-13(22-2)15(14(10-11)23-3)18-25(20,21)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQVMBRXGYGXKUHL-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.22
Rot. Bonds6

About [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate

[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate (PubChem CID 21409256) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
PubChem CID21409256
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(OC)c(NS(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O6S/c1-17-16(19)24-11-9-13(22-2)15(14(10-11)23-3)18-25(20,21)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQVMBRXGYGXKUHL-UHFFFAOYSA-N
XLogP2.22
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate
CID 21409266
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863453
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
methyl N-(benzenesulfonyl)carbamate
CID 676519
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833781
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
The IUPAC name of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate (CID 21409256) is [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate.
What is the SMILES notation for [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
The canonical SMILES for [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate is CNC(=O)Oc1cc(OC)c(NS(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
The InChIKey is QVMBRXGYGXKUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-17-16(19)24-11-9-13(22-2)15(14(10-11)23-3)18-25(20,21)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate?
[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate has a molecular weight of 366.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate is sourced from PubChem (CID 21409256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).